chempirical

3-Methyl-6-tert-butylphenol

C11H16OCAS 88-60-8164.25 g/mol

Open in Covalent MOL file
OH
Phenol

Properties

Molecular formula
C11H16O
Molar mass
164.25 g/mol
Exact mass
164.1201 Da
Density
0.922 g/mL (at 80 °C)
Melting point
46 °C
Boiling point
224 °C
logP
3.00Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
88-60-8
SMILES
Cc1ccc(C(C)(C)C)c(O)c1
InChIKey
XOUQAVYLRNOXDO-UHFFFAOYSA-N
InChI
InChI=1S/C11H16O/c1-8-5-6-9(10(12)7-8)11(2,3)4/h5-7,12H,1-4H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

9 names
  • Phenol, 2-(1,1-dimethylethyl)-5-methyl-
  • m-Cresol, 6-tert-butyl-
  • 2-(1,1-Dimethylethyl)-5-methylphenol
  • 2-tert-Butyl-5-methylphenol
  • 6-tert-Butyl-m-cresol
  • 6-tert-Butyl-3-methylphenol
  • 5-Methyl-2-tert-butylphenol
  • NSC 48467
  • 6-tert-Butyl-3-cresol

Work with 3-Methyl-6-tert-butylphenol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,5-Di-tert-butylhydroquinone88-58-458 % similar 4-Methylcatechol452-86-856 % similar 2-tert-Butylphenol88-18-652 % similar 2,5-Dimethylphenol95-87-452 % similar Butylated hydroxytoluene128-37-050 % similar 2-Amino-5-methylphenol2835-98-548 % similar 2-Chloro-5-methylphenol615-74-748 % similar tert-Butylhydroquinone1948-33-047 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Methyl-4-phenyl-2-butanol103-05-9 5-Phenyl-1-pentanol10521-91-2 4-Pentylphenol14938-35-3 2-tert-Butyl-6-methylphenol2219-82-1 2-tert-Butyl-4-methylphenol2409-55-4 Jasmone488-10-8 4-tert-Butylanisole5396-38-3 1-Phenyl-1-pentanol583-03-9

Elsewhere

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